5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide

C21H26N4O2 — CID 109104467

IUPAC5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-15(2)18-6-4-5-7-19(18)23-20(26)16-12-17(14-22-13-16)21(27)25-10-8-24(3)9-11-25/h4-7,12-15H,8-11H2,1-3H3,(H,23,26)
InChIKeyWLERINFCZKAJJM-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.84
Rot. Bonds4

About 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide

5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109104467) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109104467
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-15(2)18-6-4-5-7-19(18)23-20(26)16-12-17(14-22-13-16)21(27)25-10-8-24(3)9-11-25/h4-7,12-15H,8-11H2,1-3H3,(H,23,26)
InChIKeyWLERINFCZKAJJM-UHFFFAOYSA-N
XLogP2.84
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104479
1-[4-[5-(2-propan-2-ylanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231087
N-[2,6-di(propan-2-yl)phenyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103857
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109104825
5-(piperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109102949
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109225408
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
3-N-(4-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108597
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109104467) is 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccccc1NC(=O)c1cncc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is WLERINFCZKAJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(2)18-6-4-5-7-19(18)23-20(26)16-12-17(14-22-13-16)21(27)25-10-8-24(3)9-11-25/h4-7,12-15H,8-11H2,1-3H3,(H,23,26).
What are the key properties of 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).